Molecule

Penipanoid B

AlkaPlorer ID: AK081779

Synonym: None

IUPAC Name: (3S,3aR)-3-(4-hydroxyphenyl)-3a,4-dihydro-3H-imidazo[1,5-a]quinazolin-5-one

SMILES: O=C1N[C@H]2[C@H](C3=CC=C(O)C=C3)N=CN2C2=CC=CC=C12

InChI: InChI=1S/C16H13N3O2/c20-11-7-5-10(6-8-11)14-15-18-16(21)12-3-1-2-4-13(12)19(15)9-17-14/h1-9,14-15,20H,(H,18,21)/t14-,15+/m0/s1

InChIKey: SCCCIBBXTCKOTC-LSDHHAIUSA-N

PubChem CID: 53356217

LOTUS: LTS0174977

NPASS: NPC278593

{

NPAtlas: NPA018216

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Isodon walkeri	Isodon	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Penicillium paneum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Sinularia conferta	Sinularia	Sinulariidae	Malacalcyonacea	Anthozoa	Cnidaria	Metazoa	Eukaryota
Myxococcus virescens	Myxococcus	Myxococcaceae	Myxococcales	Myxococcia	Myxococcota	None	Bacteria
Datura leichhardtii	Datura	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 279.29900000000004

TPSA？: 64.92999999999999

MolLogP？: 2.0513

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Alternaria brassicae	Alternaria brassicae	Activity	None	None	10.1021/np200037z
Aspergillus niger	Aspergillus niger	Activity	None	None	10.1021/np200037z
Botryosphaeria berengeriana	Botryosphaeria berengeriana	Activity	None	None	10.1021/np200037z
Escherichia coli	Escherichia coli	Activity	None	None	10.1021/np200037z
Fusarium oxysporum f. sp. vasinfectum	Fusarium oxysporum f. sp. vasinfectum	Activity	None	None	10.1021/np200037z
Staphylococcus aureus	Staphylococcus aureus	Activity	None	None	10.1021/np200037z
None	Molecular identity unknown	Activity	None	None	10.1021/np200037z